5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

C22H28BrN5O3 — CID 42747855

IUPAC5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H28BrN5O3/c1-27(2)20-8-7-18(26-22(30)25-17-5-3-16(23)4-6-17)15-19(20)21(29)24-9-10-28-11-13-31-14-12-28/h3-8,15H,9-14H2,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyYGYRMFQJWLNUQD-UHFFFAOYSA-N
MW490.40 g/mol
LogP3.22
Rot. Bonds7

About 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42747855) has the molecular formula C22H28BrN5O3 and a molecular weight of 490.40 g/mol. Its IUPAC name is 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42747855
Molecular FormulaC22H28BrN5O3
Molecular Weight490.40 g/mol
Exact Mass489.14
IUPAC Name5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H28BrN5O3/c1-27(2)20-8-7-18(26-22(30)25-17-5-3-16(23)4-6-17)15-19(20)21(29)24-9-10-28-11-13-31-14-12-28/h3-8,15H,9-14H2,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyYGYRMFQJWLNUQD-UHFFFAOYSA-N
XLogP3.22
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
5-[(3-bromophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660036

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 42747855) is 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is CN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YGYRMFQJWLNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN5O3/c1-27(2)20-8-7-18(26-22(30)25-17-5-3-16(23)4-6-17)15-19(20)21(29)24-9-10-28-11-13-31-14-12-28/h3-8,15H,9-14H2,1-2H3,(H,24,29)(H2,25,26,30).
What are the key properties of 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 490.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42747855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).